Fluorine in PDB 1b02: Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis

All present enzymatic activity of Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis:
2.1.1.45;

The structure of Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis, PDB code: 1b02 was solved by K.M.Fox, F.Maley, A.Garibian, L.Changchien, P.Vanroey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.570, 105.010, 117.260, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.3

The binding sites of Fluorine atom in the Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis (pdb code 1b02). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis, PDB code: 1b02:

Fluorine binding site 1 out of 1 in the Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:F280 b:24.8 occ:1.00 F5 A:UFP280 0.0 24.8 1.0 C5 A:UFP280 1.3 14.1 1.0 C11 A:C2F281 2.4 17.7 1.0 C6 A:UFP280 2.5 18.0 1.0 C4 A:UFP280 2.5 14.9 1.0 O4 A:UFP280 2.8 27.1 1.0 OH A:TYR108 2.9 20.0 1.0 SG A:CYS161 3.0 21.1 1.0 O A:HOH313 3.2 25.5 1.0 N5 A:C2F281 3.3 16.9 1.0 O A:HOH285 3.4 33.3 1.0 C6 A:C2F281 3.4 10.5 1.0 CZ2 A:TRP94 3.8 32.5 1.0 CB A:CYS161 3.8 15.3 1.0 N3 A:UFP280 3.8 16.7 1.0 C7 A:C2F281 3.8 14.6 1.0 N1 A:UFP280 3.9 14.1 1.0 CH2 A:TRP94 4.0 24.9 1.0 CZ A:TYR108 4.1 18.8 1.0 C2 A:UFP280 4.4 16.7 1.0 N A:CYS161 4.4 6.7 1.0 C4A A:C2F281 4.4 12.6 1.0 O A:HOH317 4.6 34.2 1.0 CE2 A:TYR108 4.6 21.3 1.0 CD2 A:LEU158 4.6 34.3 1.0 N8 A:C2F281 4.7 16.6 1.0 CA A:CYS161 4.7 17.3 1.0 C9 A:C2F281 4.8 24.7 1.0 CE2 A:TRP94 4.9 29.1 1.0 C8A A:C2F281 5.0 14.6 1.0

K.M.Fox, F.Maley, A.Garibian, L.M.Changchien, P.Van Roey. Crystal Structure of Thymidylate Synthase A From Bacillus Subtilis. Protein Sci. V. 8 538 1999.
ISSN: ISSN 0961-8368
PubMed: 10091656